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<a href="#pub-methods">Public Member Functions</a> &#124;
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<div class="title">voro::unitcell Class Reference</div>  </div>
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<!-- doxytag: class="voro::unitcell" -->
<p>Class for computation of the unit Voronoi cell associated with a 3D non-rectangular periodic domain.  
</p>

<p><code>#include &lt;<a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>&gt;</code></p>
<div id="dynsection-0" onclick="return toggleVisibility(this)" class="dynheader closed" style="cursor:pointer;">
  <img id="dynsection-0-trigger" src="closed.png" alt="+"/> Inheritance diagram for voro::unitcell:</div>
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  <img src="classvoro_1_1unitcell.png" usemap="#voro::unitcell_map" alt=""/>
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<area href="classvoro_1_1container__periodic__base.html" title="Class for representing a particle system in a 3D periodic non-orthogonal periodic domain..." alt="voro::container_periodic_base" shape="rect" coords="97,56,281,80"/>
<area href="classvoro_1_1container__periodic.html" title="Extension of the container_periodic_base class for computing regular Voronoi tessellations." alt="voro::container_periodic" shape="rect" coords="0,112,184,136"/>
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<table class="memberdecls">
<tr><td colspan="2"><h2><a name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#abbeb66edf9e36476cf47bee76ce8d9fc">unitcell</a> (double bx_, double bxy_, double by_, double bxz_, double byz_, double bz_)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a630c635fd21cdd4e50bab118a4dadb13">draw_domain_gnuplot</a> (const char *filename)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a9379963d63388ba4075c620ddfdd326f">draw_domain_gnuplot</a> (FILE *fp=stdout)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#af476fca3dcc658abe2796aa9613f67bc">draw_domain_pov</a> (const char *filename)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a04c955e90a9478e17fb2a0c5df15a498">draw_domain_pov</a> (FILE *fp=stdout)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#acc445d2a964296dfca277e03fdc63ebd">intersects_image</a> (double dx, double dy, double dz, double &amp;vol)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#abeb3c87fffa74c969bd180a5f1f0ccb2">images</a> (vector&lt; int &gt; &amp;vi, vector&lt; double &gt; &amp;vd)</td></tr>
<tr><td colspan="2"><h2><a name="pub-attribs"></a>
Data Fields</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">const double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top"><a class="el" href="classvoro_1_1voronoicell.html">voronoicell</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a0844f70778cc7b19024ed28a2c7ad02c">unit_voro</a></td></tr>
<tr><td colspan="2"><h2><a name="pro-attribs"></a>
Protected Attributes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a3f7cebe966d72935971c508fc64902f0">max_uv_y</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">double&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classvoro_1_1unitcell.html#a3ac0618230ffa0a382469530f97844e6">max_uv_z</a></td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock">
<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00023">23</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>
</div><hr/><h2>Constructor &amp; Destructor Documentation</h2>
<a class="anchor" id="abbeb66edf9e36476cf47bee76ce8d9fc"></a><!-- doxytag: member="voro::unitcell::unitcell" ref="abbeb66edf9e36476cf47bee76ce8d9fc" args="(double bx_, double bxy_, double by_, double bxz_, double byz_, double bz_)" -->
<div class="memitem">
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          <td class="memname">voro::unitcell::unitcell </td>
          <td>(</td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>bx_</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>bxy_</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>by_</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>bxz_</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>byz_</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>bz_</em>&#160;</td>
        </tr>
        <tr>
          <td></td>
          <td>)</td>
          <td></td><td></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>Initializes the unit cell class for a particular non-orthogonal periodic geometry, corresponding to a parallelepiped with sides given by three vectors. The class constructs the unit Voronoi cell corresponding to this geometry. </p>
<dl><dt><b>Parameters:</b></dt><dd>
  <table class="params">
    <tr><td class="paramdir">[in]</td><td class="paramname">(bx_)</td><td>The x coordinate of the first unit vector. </td></tr>
    <tr><td class="paramdir">[in]</td><td class="paramname">(bxy_,by_)</td><td>The x and y coordinates of the second unit vector. </td></tr>
    <tr><td class="paramdir">[in]</td><td class="paramname">(bxz_,byz_,bz_)</td><td>The x, y, and z coordinates of the third unit vector. </td></tr>
  </table>
  </dd>
</dl>

<p>Definition at line <a class="el" href="unitcell_8cc_source.html#l00026">26</a> of file <a class="el" href="unitcell_8cc_source.html">unitcell.cc</a>.</p>

</div>
</div>
<hr/><h2>Member Function Documentation</h2>
<a class="anchor" id="a630c635fd21cdd4e50bab118a4dadb13"></a><!-- doxytag: member="voro::unitcell::draw_domain_gnuplot" ref="a630c635fd21cdd4e50bab118a4dadb13" args="(const char *filename)" -->
<div class="memitem">
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      <table class="memname">
        <tr>
          <td class="memname">void voro::unitcell::draw_domain_gnuplot </td>
          <td>(</td>
          <td class="paramtype">const char *&#160;</td>
          <td class="paramname"><em>filename</em></td><td>)</td>
          <td><code> [inline]</code></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>Draws an outline of the domain in Gnuplot format. </p>
<dl><dt><b>Parameters:</b></dt><dd>
  <table class="params">
    <tr><td class="paramdir">[in]</td><td class="paramname">filename</td><td>the filename to write to. </td></tr>
  </table>
  </dd>
</dl>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00049">49</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

</div>
</div>
<a class="anchor" id="a9379963d63388ba4075c620ddfdd326f"></a><!-- doxytag: member="voro::unitcell::draw_domain_gnuplot" ref="a9379963d63388ba4075c620ddfdd326f" args="(FILE *fp=stdout)" -->
<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">void voro::unitcell::draw_domain_gnuplot </td>
          <td>(</td>
          <td class="paramtype">FILE *&#160;</td>
          <td class="paramname"><em>fp</em> = <code>stdout</code></td><td>)</td>
          <td></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>Draws the periodic domain in gnuplot format. </p>
<dl><dt><b>Parameters:</b></dt><dd>
  <table class="params">
    <tr><td class="paramdir">[in]</td><td class="paramname">fp</td><td>the file handle to write to. </td></tr>
  </table>
  </dd>
</dl>

<p>Definition at line <a class="el" href="unitcell_8cc_source.html#l00203">203</a> of file <a class="el" href="unitcell_8cc_source.html">unitcell.cc</a>.</p>

</div>
</div>
<a class="anchor" id="af476fca3dcc658abe2796aa9613f67bc"></a><!-- doxytag: member="voro::unitcell::draw_domain_pov" ref="af476fca3dcc658abe2796aa9613f67bc" args="(const char *filename)" -->
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        <tr>
          <td class="memname">void voro::unitcell::draw_domain_pov </td>
          <td>(</td>
          <td class="paramtype">const char *&#160;</td>
          <td class="paramname"><em>filename</em></td><td>)</td>
          <td><code> [inline]</code></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>Draws an outline of the domain in Gnuplot format. </p>
<dl><dt><b>Parameters:</b></dt><dd>
  <table class="params">
    <tr><td class="paramdir">[in]</td><td class="paramname">filename</td><td>the filename to write to. </td></tr>
  </table>
  </dd>
</dl>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00057">57</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

</div>
</div>
<a class="anchor" id="a04c955e90a9478e17fb2a0c5df15a498"></a><!-- doxytag: member="voro::unitcell::draw_domain_pov" ref="a04c955e90a9478e17fb2a0c5df15a498" args="(FILE *fp=stdout)" -->
<div class="memitem">
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          <td class="memname">void voro::unitcell::draw_domain_pov </td>
          <td>(</td>
          <td class="paramtype">FILE *&#160;</td>
          <td class="paramname"><em>fp</em> = <code>stdout</code></td><td>)</td>
          <td></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>Draws the periodic domain in POV-Ray format. </p>
<dl><dt><b>Parameters:</b></dt><dd>
  <table class="params">
    <tr><td class="paramdir">[in]</td><td class="paramname">fp</td><td>the file handle to write to. </td></tr>
  </table>
  </dd>
</dl>

<p>Definition at line <a class="el" href="unitcell_8cc_source.html#l00212">212</a> of file <a class="el" href="unitcell_8cc_source.html">unitcell.cc</a>.</p>

</div>
</div>
<a class="anchor" id="abeb3c87fffa74c969bd180a5f1f0ccb2"></a><!-- doxytag: member="voro::unitcell::images" ref="abeb3c87fffa74c969bd180a5f1f0ccb2" args="(vector&lt; int &gt; &amp;vi, vector&lt; double &gt; &amp;vd)" -->
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          <td class="memname">void voro::unitcell::images </td>
          <td>(</td>
          <td class="paramtype">vector&lt; int &gt; &amp;&#160;</td>
          <td class="paramname"><em>vi</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">vector&lt; double &gt; &amp;&#160;</td>
          <td class="paramname"><em>vd</em>&#160;</td>
        </tr>
        <tr>
          <td></td>
          <td>)</td>
          <td></td><td></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>Computes a list of periodic domain images that intersect the unit Voronoi cell. </p>
<dl><dt><b>Parameters:</b></dt><dd>
  <table class="params">
    <tr><td class="paramdir">[out]</td><td class="paramname">vi</td><td>a vector containing triplets (i,j,k) corresponding to domain images that intersect the unit Voronoi cell, when it is centered in the middle of the primary domain. </td></tr>
    <tr><td class="paramdir">[out]</td><td class="paramname">vd</td><td>a vector containing the fraction of the Voronoi cell volume within each corresponding image listed in vi. </td></tr>
  </table>
  </dd>
</dl>

<p>Definition at line <a class="el" href="unitcell_8cc_source.html#l00122">122</a> of file <a class="el" href="unitcell_8cc_source.html">unitcell.cc</a>.</p>

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</div>
<a class="anchor" id="acc445d2a964296dfca277e03fdc63ebd"></a><!-- doxytag: member="voro::unitcell::intersects_image" ref="acc445d2a964296dfca277e03fdc63ebd" args="(double dx, double dy, double dz, double &amp;vol)" -->
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      <table class="memname">
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          <td class="memname">bool voro::unitcell::intersects_image </td>
          <td>(</td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>dx</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>dy</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">double&#160;</td>
          <td class="paramname"><em>dz</em>, </td>
        </tr>
        <tr>
          <td class="paramkey"></td>
          <td></td>
          <td class="paramtype">double &amp;&#160;</td>
          <td class="paramname"><em>vol</em>&#160;</td>
        </tr>
        <tr>
          <td></td>
          <td>)</td>
          <td></td><td></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>Calculates whether the unit Voronoi cell intersects a given periodic image of the domain. </p>
<dl><dt><b>Parameters:</b></dt><dd>
  <table class="params">
    <tr><td class="paramdir">[in]</td><td class="paramname">(dx,dy,dz)</td><td>the displacement of the periodic image. </td></tr>
    <tr><td class="paramdir">[out]</td><td class="paramname">vol</td><td>the proportion of the unit cell volume within this image, only computed in the case that the two intersect. </td></tr>
  </table>
  </dd>
</dl>
<dl class="return"><dt><b>Returns:</b></dt><dd>True if they intersect, false otherwise. </dd></dl>

<p>Definition at line <a class="el" href="unitcell_8cc_source.html#l00101">101</a> of file <a class="el" href="unitcell_8cc_source.html">unitcell.cc</a>.</p>

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</div>
<hr/><h2>Field Documentation</h2>
<a class="anchor" id="aba3ac9d30b539fb0017799555199c2df"></a><!-- doxytag: member="voro::unitcell::bx" ref="aba3ac9d30b539fb0017799555199c2df" args="" -->
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          <td class="memname">const double <a class="el" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">voro::unitcell::bx</a></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>The x coordinate of the first vector defining the periodic domain. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00027">27</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

</div>
</div>
<a class="anchor" id="a572a7b91539af3c0707b6caccbf15f35"></a><!-- doxytag: member="voro::unitcell::bxy" ref="a572a7b91539af3c0707b6caccbf15f35" args="" -->
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          <td class="memname">const double <a class="el" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">voro::unitcell::bxy</a></td>
        </tr>
      </table>
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<div class="memdoc">
<p>The x coordinate of the second vector defining the periodic domain. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00030">30</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

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<a class="anchor" id="a000adf05e666f0fb4f57dbe8ca5b51db"></a><!-- doxytag: member="voro::unitcell::bxz" ref="a000adf05e666f0fb4f57dbe8ca5b51db" args="" -->
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          <td class="memname">const double <a class="el" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">voro::unitcell::bxz</a></td>
        </tr>
      </table>
</div>
<div class="memdoc">
<p>The x coordinate of the third vector defining the periodic domain. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00036">36</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

</div>
</div>
<a class="anchor" id="abaca9a0c853b9a53f164a2fbee783f83"></a><!-- doxytag: member="voro::unitcell::by" ref="abaca9a0c853b9a53f164a2fbee783f83" args="" -->
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          <td class="memname">const double <a class="el" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">voro::unitcell::by</a></td>
        </tr>
      </table>
</div>
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<p>The y coordinate of the second vector defining the periodic domain. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00033">33</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

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<a class="anchor" id="a434c1a7cd8ba84d4ad09845a1a0ddb5b"></a><!-- doxytag: member="voro::unitcell::byz" ref="a434c1a7cd8ba84d4ad09845a1a0ddb5b" args="" -->
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<p>The y coordinate of the third vector defining the periodic domain. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00039">39</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

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<a class="anchor" id="a30bf0a4a6bff808301aa424683eb0481"></a><!-- doxytag: member="voro::unitcell::bz" ref="a30bf0a4a6bff808301aa424683eb0481" args="" -->
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<p>The z coordinate of the third vector defining the periodic domain. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00042">42</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

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<a class="anchor" id="a3f7cebe966d72935971c508fc64902f0"></a><!-- doxytag: member="voro::unitcell::max_uv_y" ref="a3f7cebe966d72935971c508fc64902f0" args="" -->
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<p>The maximum y-coordinate that could possibly cut the computed unit Voronoi cell. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00068">68</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

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<a class="anchor" id="a3ac0618230ffa0a382469530f97844e6"></a><!-- doxytag: member="voro::unitcell::max_uv_z" ref="a3ac0618230ffa0a382469530f97844e6" args="" -->
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<p>The maximum z-coordinate that could possibly cut the computed unit Voronoi cell. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00071">71</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

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<a class="anchor" id="a0844f70778cc7b19024ed28a2c7ad02c"></a><!-- doxytag: member="voro::unitcell::unit_voro" ref="a0844f70778cc7b19024ed28a2c7ad02c" args="" -->
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          <td class="memname"><a class="el" href="classvoro_1_1voronoicell.html">voronoicell</a> <a class="el" href="classvoro_1_1unitcell.html#a0844f70778cc7b19024ed28a2c7ad02c">voro::unitcell::unit_voro</a></td>
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<p>The computed unit Voronoi cell corresponding the given 3D non-rectangular periodic domain geometry. </p>

<p>Definition at line <a class="el" href="unitcell_8hh_source.html#l00045">45</a> of file <a class="el" href="unitcell_8hh_source.html">unitcell.hh</a>.</p>

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<hr/>The documentation for this class was generated from the following files:<ul>
<li><a class="el" href="unitcell_8hh_source.html">unitcell.hh</a></li>
<li><a class="el" href="unitcell_8cc_source.html">unitcell.cc</a></li>
</ul>
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